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MolNFT v1 · #19779 · protein

X-ray structure of the FERREDOXIN:NADP+ reductase from the cyanobacterium anabaena pcc 7119 at 1.8 ångströms

1QUE · Ferredoxin--NADP+ reductase: “X-ray structure of the FERREDOXIN:NADP+ reductase from the cyanobacterium anabaena pcc 7119 at 1.8 ångströms”. X-ray diffraction, 2 ligands (FAD, SO4), 3 pockets (best druggability 0.53). MolNFT v1…

PDB
1QUE
Type
protein
Length
303 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferredoxin--NADP+ reductase
EC
1.18.1.2
UniProt
P21890
Ligands
FAD, SO4
Pockets
3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerredoxin--NADP+ reductase (EC 1.18.1.2)protein30326% helix, 29% strandP21890

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12200.530.7727SO4
21300.450.7719FAD
3660.300.7427empty

Compared structures

  • 1QUE · X-ray structure of the FERREDOXIN:NADP+ reductase from the cyanobacterium anabaena pcc… · the same entry in another collection · chain A against A, TM-score 1.00
  • P21890 · AlphaFold monomer V2.0 prediction for ferredoxin--NADP reductase (P21890) · a predicted model of the same protein · chain A against A, TM-score 0.97

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